Molecule
ID:119943
General Information
Molecular Formula
C₅H₁₀O₃
Molecular Mass
118.1311
Exact Mass
118.06299418
Charge
0
InChI
InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3
InChIKey
LZCLXQDLBQLTDK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)[C@@H](O)C
Isomeric Smiles
C(=O)([C@@H](O)C)OCC
Calculated Properties
JChem
Acid pKa
12.999511
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.03087248
LogD (pH = 7.4)
0.030871402
Log P
0.030872492
Molar Refractivity
28.3575
Polarizability
11.390625
Polar Surface Area
46.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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